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PUBCHEM-ZINC02019420

 MMsINC code: MMs02855052
Type: Neutral
Formula: C10H24N2
SMILES:   N(C(C)C)CCCCNC(C)C
InChI:   InChI=1/C10H24N2/c1-9(2)11-7-5-6-8-12-10(3)4/h9-12H,5-8H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-5.19588 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.316 g/mol  logS: -0.8368  SlogP: 1.7626  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0502537  Sterimol/B1: 2.16705  Sterimol/B2: 2.36213  Sterimol/B3: 3.87179
  Sterimol/B4: 4.45723  Sterimol/L: 15.6791 
 
 Surface and Volume Properties
  Accessible surface: 465.485  Positive charged surface: 365.179  Negative charged surface: 100.306  Volume: 215.5
  Hydrophobic surface: 349.978  Hydrophilic surface: 115.507
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02855053
PUBCHEM-ZINC02019420